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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1825352-86-0, 2,8-dimethylimidazo[1,2-b]pyridazine-6-boronic acid pinacol ester, Mfcd31556434, Tqr0467, Ps-17043, Sy277227
    Molecular Formula
    C14H20BN3O2
    Molecular Weight
    273.14  g/mol
    InChI Key
    UCBLAGDTLLXGNA-UHFFFAOYSA-N
    CAS 1825352-86-0
    1 2D Structure

    CAS 1825352-86-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazine
    2.1.2 InChI
    InChI=1S/C14H20BN3O2/c1-9-7-11(17-18-8-10(2)16-12(9)18)15-19-13(3,4)14(5,6)20-15/h7-8H,1-6H3
    2.1.3 InChI Key
    UCBLAGDTLLXGNA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=NN3C=C(N=C3C(=C2)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1825352-86-0

    2. 2,8-dimethylimidazo[1,2-b]pyridazine-6-boronic Acid Pinacol Ester

    3. Mfcd31556434

    4. Tqr0467

    5. Ps-17043

    6. Sy277227

    7. Cs-0097600

    2.3 Create Date
    2017-01-25
    3 Chemical and Physical Properties
    Molecular Weight 273.14 g/mol
    Molecular Formula C14H20BN3O2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area48.6
    Heavy Atom Count20
    Formal Charge0
    Complexity375
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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